Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.43 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.43 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.43 |
| ▸ | UGCG | Q16739 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28649079 | 0.79 | ENPP2 (0.55) | ALDH1A1ENPP2SMN1; SMN2HPGDORAI1 | |
| SCHEMBL28044194 | 0.74 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDUGCGCYP1A2 | |
| SCHEMBL2657700 | 0.73 | ENPP2 (0.39) | ENPP2ORAI1ORAI2ORAI3CDK5 | |
| SCHEMBL29956241 | 0.73 | ENPP2 (0.39) | ALDH1A1ENPP2SMN1; SMN2HPGDORAI1 | |
| SCHEMBL5039573 | 0.73 | ENPP2 (0.39) | ALDH1A1ENPP2SMN1; SMN2HPGDORAI1 | |
| SCHEMBL4702995 | 0.73 | ENPP2 (0.39) | ALDH1A1ENPP2ORAI1ORAI2ORAI3 | |
| SCHEMBL27526791 | 0.73 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDUGCGCYP1A2 | |
| SCHEMBL29953746 | 0.71 | ENPP2 (0.38) | ALDH1A1ENPP2SMN1; SMN2ORAI1ORAI2 | |
| SCHEMBL31016790 | 0.71 | ENPP2 (0.38) | ALDH1A1ENPP2ORAI1ORAI2ORAI3 | |
| SCHEMBL203282 | 0.71 | ENPP2 (0.60) | ALDH1A1ENPP2SMN1; SMN2HPGDORAI1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120059032-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2012-03-08 | — | — | US | disclosed |
| WO-2011022518-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2011-02-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120059032-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES EFFECTIVE AS ANTIGLIOMA AGENTS, METHODS OF MAKING, AND THEIR USE | BAD, BAK1, CASP3 | ALDH1A1 2394/4885ENPP2 1781/4885SMN1; SMN2 1427/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.